tert-butyl 4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O7 MolecularWeight: 434.44304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H26N4O7/c1-20(2,3)31-18(26)22-11-9-21(10-12-22)17(25)5-4-8-23-15-7-6-14(24(28)29)13-16(15)30-19(23)27/h6-7,13H,4-5,8-12H2,1-3H3